SCHEMBL3517034

SCHEMBL3517034

CCOC(=O)c1c(O)c2cc(C(=O)NCc3ccccc3)cnc2n(O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
RECQL P46063 1/20 0.45
ALDH1A1 P00352 4/20 0.45
P2RY12 Q9H244 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR3 Q99500 1/20 0.43
HPGDS O60760 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
ALOX12 P18054 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3516288 0.93 P2RY12 (0.49) KDM4EALDH1A1P2RY12SMN1; SMN2MEN1
SCHEMBL3517790 0.92 MAPT (0.48) KDM4ERECQLALDH1A1P2RY12SMN1; SMN2
SCHEMBL13435287 0.90 ROCK2 (0.50) SMN1; SMN2KMT2AHPGDSLMNAPOLB
SCHEMBL3516270 0.88 KDM4E (0.45) KDM4ERECQLALDH1A1P2RY12SMN1; SMN2
SCHEMBL3516261 0.88 MEN1 (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13435288 0.87 P2RY12 (0.52) KDM4EALDH1A1P2RY12SMN1; SMN2MEN1
SCHEMBL3517893 0.86 KDM4E (0.42) KDM4ERECQLALDH1A1SMN1; SMN2MEN1
SCHEMBL3517830 0.86 MEN1 (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3518509 0.83 KDM4E (0.50) KDM4ERECQLALDH1A1SMN1; SMN2LMNA
SCHEMBL3517794 0.83 KDM4E (0.44) KDM4ERECQLALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2044068-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS Merck & Co., Inc. (US) 2009-04-08 EP disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KDM4E 2380/4885RECQL 11/4885ALDH1A1 1486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.